⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19989678 | 0.93 | SLC6A2 (0.50) | — | |
| SCHEMBL19989611 | 0.91 | SLC6A2 (0.47) | — | |
| SCHEMBL19989689 | 0.91 | — | — | |
| SCHEMBL19989687 | 0.90 | — | — | |
| SCHEMBL19989589 | 0.88 | DRD2 (0.43) | — | |
| SCHEMBL19989661 | 0.88 | MAPK1 (0.40) | — | |
| SCHEMBL19989707 | 0.88 | PPARG (0.43) | — | |
| SCHEMBL19989609 | 0.88 | — | — | |
| SCHEMBL19989618 | 0.87 | SLC6A2 (0.46) | — | |
| SCHEMBL19989594 | 0.87 | DRD2 (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180086709-A1 | TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | DONG-A ST CO., LTD. (KR) | 2018-03-29 | — | — | US | disclosed |